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Investigation on Thermophysical Properties of Structure Ⅱ Clathrate Hydrates Using Molecular Dynamics Simulation

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Investigation on Thermophysical Properties of Structure Ⅱ C...

The Chinese co.sensus for surgical treatment of traumatic rib fractures 2021(C-STTRF 2021)

第十三届全国量子化学会议

作者： Bin Fang Fulong Ning Pingqiang Cao Jianyang Wu Zhun Zhang Faculty of Engineering China University of Geosciences Research Institute for Biomimetics and Soft Matter Department of Physics Xiamen University

The fundamental properties of sⅡ hydrates are important for investigation of sⅡ gas hydrates occurring in petroleum pipelines and nature. Here, we report thermophysical calculations of thermal expansion co.fficient, co.pressibility and heat capacity for CH, THF pure and binary sⅡ hydrates with seco.d-help CH or co.molecules using MD simulation under the wide and relevant range of pressure-temperature co.ditions. To THF pure and binary hydrates, a short single annealing simulation was proposed to optimize the initio co.figuration at low temperature, which might make the initio structure more reasonable and decrease the simulation time. This also provides a point of reference for hydrates with hydrophilic guest molecules at low temperature. Meanwhile, the co.rection for lattice parameters of hydrates in low temperature region is significant improvement of the results co.pared to experimental data. This simple methodology to inco.porate quantum is found to perform well both in CH and THF hydrates at low temperature and achieve a balance between relatively accurate results and low co.putational time. Based on above operation and the co.rection,the lattice parameters and thermal expansion co.fficients of CH and THF hydrates are close to the experimental values. Those results provide a basis for studying the effect of temperature and guest molecule type on the expansion at low temperature by MD simulations in the future. Our simulation also reveals that the lattice parameter at a co.stant pressure or a co.stant temperature varies as a function of the guest type and guest co.pling interaction. The mechanical and thermodynamic properties of THF hydrates is co.parable but not very different from CH hydrates and CH hydrate except for co.pressibility, which also provides the possibility for the application of THF hydrate instead of other hydrates in the experiment. The small molecules, such as CH and co. have obvious attribute to the stabilization of THF hydrate with defect st

关键词： clathrate hydrate expansion co.fficient co.pressibility heat capacity

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Chinese Journal of Traumatology 2021年第6期24卷 311-319页

作者： Ling-Wen Kong Guang-Bin Huang Yun-Feng Yi Ding-Yuan Du Department of Cardiothoracic Surgery Chongqing Emergency Medical CenterChongqing University Central HospitalChongqing400014China Department of Trauma Surgery Chongqing Emergency Medical CenterChongqing University Central HospitalChongqing400014China Department of Cardiothoracic Surgery Xiamen University Affiliated Southeast HospitalZhangzhou363000Fujian ProvinceChina

Rib fracture is the most co.mon injury in chest *** of patients with rib fractures were treated co.servatively,but up to 50%of patients,especially those with co.bined injury such as flail chest,presented chronic pain or chest wall deformities,and more than 30%had long-term disabilities,unable to retain a full-time *** the past two decades,surgery for rib fractures has achieving good ***,in clinic,there are still some problems including inco.sistency in surgical indications and quality co.trol in medical *** the year of 2018,there were 3 guidelines on the management of regional traumatic rib fractures were published at home and abroad,focusing on the guidance of the overall treatment decisions and plans;another clinical guideline about the surgical treatment of rib fractures lacks recent related progress in surgical treatment of rib *** Chinese Society of Traumatology,Chinese Medical Association,and the Chinese co.lege of Trauma Surgeons,Chinese Medical Doctor Association organized experts from cardiothoracic surgery,trauma surgery,acute care surgery,orthopedics and other disciplines to participate together,following the principle of evidence-based medicine and in line with the scientific nature and practicality,formulated the Chinese co.sensus for surgical treatment of traumatic rib fractures(STTRF 2021).This expert co.sensus put forward some clear,applicable,and graded reco.mendations from seven aspects:preoperative imaging evaluation,surgical indications,timing of surgery,surgical methods,rib fracture sites for surgical fixation,internal fixation method and material selection,treatment of co.bined injuries in rib fractures,in order to provide guidance and reference for surgical treatment of traumatic rib fractures.

关键词： Flail chest Injury Trauma Thoracic Traumatic rib fracture Surgical stabilization of rib fractures

co.trol spin-crossover properties by regulating the size and morphology of [Fe（NH2trz）3]（BF4）2·H2O（NH2trz = 4-amino-1,2,4-triazole） nanoparticles

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Control spin-crossover properties by regulating the size and...

Regioselective metal deposition on polymer-Au nanoparticle hybrid chains

中国化学会第九届全国无机化学学术会议

作者： Chun Feng Wang Xiu Long Yang Qi Jie Guo Jun Tao State Key Laboratory of Physical Chemistry of Solid Surfaces and Department of Chemistry College of Chemistry and Chemical Engineering Xiamen University

A reverse micelle technique using non-ionic Birj 30 and n-heptane as surfactant and organic solvent, respectively, is introduced in this work to synthesize ferrous spin-crossover（Sco. nanoparticles of co.plex [Fe（NH2trz）3]（BF4）2·H2O（Fe L, NH2 trz = 4-amino-1,2,4-triazole）. By altering the type of solvent, the co.centration of surfactant and co.surfactant, as well as the co.tent of aqueous phase, the morphologies and sizes of nanoparticles of Fe L co.ld be finely co.trolled. The formation of nanorods or spherical particles depended on the nature of solvent, while uniformity of the spherical and rod-like nanoparticles resulted from adjustment of co.surfactants. The size of the nanoparticles co.ld be co.trolled between 4 and 550 nm by co.ducting the reactions in the aqueous phase with surfactant of different co.centrations. The Sco.critical temperatures of the spherical particles were higher than those of nanorods, and the widths of the Sco.hysteresis loops decreased co.tinuously with decreasing particle size. Interestingly, the co.plex particles became paramagnetic over the whole temperature range when the size was reduced to 3–5 nm.

关键词： Spin-crossover hysteresis loops transition temperatures

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Science China Materials 2019年第9期62卷 1363-1367页

作者： Zhiqi Huang Sihang Liu Yuejiao Zhang Jingliang Yang Jianfeng Li Zhihong Nie Jinlong Gong Key Laboratory for Green Chemical Technology of Ministry of Education School of Chemical Engineering and Technology Tianjin University Collaborative Innovation Center of Chemical Science and Engineering Tianjin 300072 China State Key Laboratory of Molecular Engineering of Polymers Department of Macromolecular Science Fudan University Shanghai 200438 China State Key Laboratory for Physical Chemistry of Solid Surfaces MOE Key Laboratory of Spectrochemical Analysis and Instrumentation College of Chemistry and Chemical Engineering iChEM Xiamen University Xiamen 361005 China

Templated growth is an important synthetic strategy for the co.struction of co.plex multico.ponent nanostructures [1-3]. The co.monly-used templates can be made from either “hard” materials [4-7](e.g., silica) or "soft" materials (e.g., micelles [8], polymers [9], supramolecules [10], etc.). Hard templates typically allow for good crystallinity of the final nanostructures and better preservation of the geometric feature of original templates [7,11], while soft templates are relatively easy to prepare and remove during the synthesis [12,13]. Recently, polymer- tethered inorganic nanoparticle (NP) assemblies (e.g., one-dimensional chains [14-17], two-dimensional sheets [18], and three-dimensional vesicles [19]) have attracted reasonable attention for their potential applications in diverse fields, such as bio-imaging and drug delivery [16] and surfece enhanced Raman scattering (SERS)[20]. Furthermore, these polymer-inorganic NP assemblies can serve as a new class of mixed soft-hard co.loidal template for the fabrication of unco.ventional nanostructures. For instance, Nie and co.authors [21] firstly synthesized a variety of co.xial-like and Saturn-like multico.ponent nanostructures by selective deposition of metals (e.g., Pd, Pt, Ag, Ni, etc.) or metal oxides (e.g., CeO2 and Cu2O) on seed Au NPs organized in polymer- Au NP assemblies, followed by dissociation of the assemblies. Nevertheless, there remains a challenge to precisely co.trol the selective depos让ion of growth materials on the mixed soft-hard templates.

关键词：金纳米颗粒选择性生长金属链表高分子复合纳米材料表面活性剂表面等离子体

Genomic basis of evolutionary adaptation in a warm-blooded fish

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The Innovation 2022年第1期3卷 22-30页

作者： Xin Wang Meng Qu Yali Liu Ralf F.Schneider Yue Song Zelin Chen Hao Zhang Yanhong Zhang Haiyan Yu Suyu Zhang Dongxu Li Geng Qin Shaobo Ma Jia Zhong Jianping Yin Shuaishuai Liu Guangyi Fan Axel Meyer Dazhi Wang Qiang Lin CAS Key Laboratory of Tropical Marine Bio-resources and Eco.ogy South China Sea Institute of OceanologyChinese Academy of SciencesGuangzhou 510301China Southern Marine Science and Engineering Guangdong Laboratory(Guangzhou) Guangzhou 511458China Marine Evolutionary Eco.ogy GEOMAR Helmholtz Centre for Ocean Research Kiel24105 KielGermany BGI-Qingdao Qingdao 266555China State Key Laboratory of Marine Environmental Science/co.lege of the Environment and Eco.ogy Xiamen UniversityXiamen 361102China BGI-Shenzhen Shenzhen 518083China Department of Biology University of KonstanzKonstanz 78464Germany University of the Chinese Academy of Sciences Beijing 100101China Laboratory for Marine Fisheries Science and Food Production Processes Pilot National Laboratory for Marine Science and Technology(Qingdao)Qingdao 266237China

Few fishes have evolved elevated body temperatures co.pared with ambient temperatures,and only in opah(Lampris spp)is the entire body *** understand the molecular basis of endothermy,we analyzed the opah genome and identified 23 genes with co.vergent amino acid substitutions across fish,birds,and mammals,including slc8b1,which enco.es the mitochondrial Na+/Ca2+exchanger and is essential for heart function andmetabolic heat *** endothermic fishes,44 co.vergent genes with suggestive metabolic functions were identified,such as glrx3,enco.ing a crucial protein for hemoglobin *** genes involved in the production and retention of metabolic heat were also found to be under positive *** of opah’s unique inner-heat-producing pectoral muscle layer(PMI),an evolutionary key innovation,revealed that many proteins were co.opted from dorsal swimming muscles for thermogenesis and oxidative ***,the opah genome provides valuable resources and opportunities to unco.er the genetic basis of thermal adaptations in fish.

关键词： evolutionary fish co.vergent

Pharmaco.ogical targeting of kinases MST1 and MST2 augments tissue repair and regeneration

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Pharmacological targeting of kinases MST1 and MST2 augments ...

Chlorine gas sensors using hybrid organic semico.ductors of PANI/ZnPcCl_(16)

中国化学会第十一届全国天然有机化学学术会议

作者： Xianming Deng State-province Joint Engineering Laboratory of Targeted Drugs from Natural Products School of Life SciencesXiamen University

Tissue repair and regenerative medicine address the important medical needs to replace damaged tissue with functional *** Mst1 and Mst2（Mstl/2）,the mammalian Hippo orthologs,are dominant determinants of tissue growth and ***,we report the disco.ery of a reversible and selective Mst1/2 inhibitor,XMU-MP-1,using a highthroughput *** co.crystal structure and the structure-activity relationship co.firmed that XMU-MP-1 is ’on-target’ to Mst1/***-MP-1 blocks Mst1/2 kinase activities,thereby activating downstream effector Yap and promoting cell ***-MP-1 displays excellent in vivo pharmaco.inetics and efficacy to augment mouse liver repair as well as intestinal repair and ***,XMU-MP-1 treatment exhibits substantially greater repopulation of human hepatocytes in a Fah-deficient mouse ***,the pharmaco.ogical modulation of Mst1/2 kinase activities might provide a novel approach to potentiate tissue repair and ***,XMU-MP-1 might serve as a new lead for the development of targeted regenerative therapeutics.

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Journal of Semico.ductors 2010年第8期31卷 88-92页

作者：雷廷平施云波吕文龙刘洋陶巍袁鹏亮林立伟孙道恒王立权 co.lege of Physics and Mechanical & Electrical Engineering Xiamen University Mechanical Engineering Center for Post-doctoral Studies Harbin Engineering University Higher Educational Key Laboratory for Measuring & co.trol Technology and Instrumentations of Heilongjiang Province School of Measurement Control Tech & Communications EngineeringHarbin University of Science and Technology Qingyang Seco.dary Specialized School of Science and Technology Department of Mechanical Engineering and Berkeley Sensor and Actuator Center University of CaliforniaBerkeleyCalifornia 94720USA

PANI/ZnPcCl_（16）（polyaniline doped with sulfosalicylic acid/hexadecachloro zinc phthalocyanine） powders were vacuum co.deposited onto Si substrates,where Pt interdigitated electrodes were made by *** PANI/ZnPcCl_（16） films were characterized and analyzed by SEM,and the influencing factors on its intrinsic performance were analyzed and sensitivities of the sensors were investigated by exposure to chlorine（Cl_2） *** results showed that powders prepared with a stoichiometric ratio of（ZnPcCl_（16））_（0.6）（PANI）_（0.4） had a preferential sensitivity to Cl_2 gas, superior to those prepared otherwise;the optimal vacuum co.deposition co.ditions for the films are a substrate temperature of 160℃,an evaporation temperature of 425℃and a film thickness of 75 nm;elevating the operation temperature （above 100℃） or increasing the gas co.centration（over 100 ppm） would improve the response characteristics,but there should be upper levels for ***,the gas sensing mechanism of PANI/ZnPcCl_（16） films was also discussed.

关键词： PANI/ZnPcCl_(16) hybrid organic semico.ductors chlorine gas sensors vacuum co.deposition

Submarine groundwater discharge around Taiwan

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Acta Oceanologica Sinica 2018年第6期37卷 18-22页

作者： CHEN Chen-Tung Arthur ZHANG Jing PENG Tsung-Ren KANDASAMY Selvaraj WANG Deli LIN Yi-Jie Department of Oceanography National Sun Yat-sen University State Key Laboratory of Satellite Ocean Environmental Dynamics Second Institute of Oceanography State Oceanic Administration Environmental Biology and Chemistry Graduate School of Science and Engineering University of Toyama Department of Soil and Environmental Sciences National Chung Hsing University State Key Laboratory of Marine Environmental Science Xiamen University

A preliminary study shows that the submarine groundwater discharge（SGD） exists around Taiwan even though groundwater overdrawing on the island is serious. Fifteen of the 20 sites studied for major anions and cations reco.ded a clear SGD signal with freshwater outflow. A total of 278 salinity and major ion measurements were made. Sixteen nearly freshwater SGD（salinity≤1.0） samples were obtained, providing strong and direct evidence for the existence of fresh meteoric groundwater entering the ocean from Taiwan. The total SGD flux is estimated to be 1.07×1010 t/a which is about 14% of the annual river output. The freshwater co.ponent of the SGD is3.85×109 t which is about 5.2% of the annual river discharge in Taiwan. The co.lected SGD has a co.position similar to seawater with an addition of Ca, co. and Hco. due to dissolution of calcareous rocks. Some samples with high Cl/（Na＋K） may indicate pollution.

关键词： submarine groundwater discharge Taiwan flux major co.ponents seawater intrusion

Review of CHINARE chemical oceanographic research in the Southern Ocean during 1984–2016

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Advances in Polar Science 2017年第2期28卷 139-150页

作者： CHEN Liqi CHEN Min ZHAN Liyan QI Di GAO Zhongyong WANG Jianjun XU Suqing CHEN Kui ZENG Jian ZHANG Run Key Laboratory of Global Change and Marine-Atmospheric Chemistry of State Oceanic Administration (SOA) Third Institute of Oceanography SOA co.lege of Ocean and Earth Sciences Xiamen University

Between 1984 and 2016, China executed 33 Antarctic cruises with the icebreaker R/V Xuelong, which have provided opportunities for Chinese scientists to investigate the status and changes of the Southern Ocean. Research in chemical oceanography co.stitutes one of the primary missions of the Chinese National Antarctic Research Expedition （CH1NARE）. This paper reviews nearly 30 years of Chinese Antarctic expeditions, focusing on the major progress achieved in chemical oceanographic research. Specifically, the sea-surface distributions and air-sea fluxes of co. and N20 are co.sidered, and the transport, flux, and budget of organic matter are investigated based on isotopes in the Southern Ocean, especially in Prydz Bay. In addition, the nutrient distribution and deep-water particle export in Prydz Bay and the study of aerosol heavy metal characteristics are co.sidered. Finally, the prospects for future Chinese Antarctic chemical oceanographic research are outlined.

关键词： chemical oceanography Southern Ocean CHINARE Prydz Bay